2-diethoxyphosphoryl-2-phenylethanamine

C12H20NO3P — CID 14418072

IUPAC2-diethoxyphosphoryl-2-phenylethanamine
SMILESCCOP(=O)(OCC)C(CN)c1ccccc1
InChIInChI=1S/C12H20NO3P/c1-3-15-17(14,16-4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
InChIKeyBANCZHAXHZPQII-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.95
Rot. Bonds7

About 2-diethoxyphosphoryl-2-phenylethanamine

2-diethoxyphosphoryl-2-phenylethanamine (PubChem CID 14418072) has the molecular formula C12H20NO3P and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-phenylethanamine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-phenylethanamine
PubChem CID14418072
Molecular FormulaC12H20NO3P
Molecular Weight257.27 g/mol
Exact Mass257.12
IUPAC Name2-diethoxyphosphoryl-2-phenylethanamine
SMILESCCOP(=O)(OCC)C(CN)c1ccccc1
InChIInChI=1S/C12H20NO3P/c1-3-15-17(14,16-4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
InChIKeyBANCZHAXHZPQII-UHFFFAOYSA-N
XLogP2.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(diethoxyphosphoryl)methylbenzene
CID 11132243
[(1R)-1-diethoxyphosphoryl-2-nitroethyl]benzene
CID 7031986
[(1R)-1-diethoxyphosphorylheptyl]benzene
CID 166637247
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
(1-diethoxyphosphoryl-2-nitropropyl)benzene
CID 10017727
N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide
CID 11315702
(2-diethoxyphosphoryl-1-nitro-2-phenylethyl)benzene
CID 10361332
1-[diethoxyphosphoryl(phenyl)methyl]naphthalene
CID 101476884
1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
CID 23415563
[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane
CID 23420114
[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene
CID 11059605

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-phenylethanamine?
The IUPAC name of 2-diethoxyphosphoryl-2-phenylethanamine (CID 14418072) is 2-diethoxyphosphoryl-2-phenylethanamine.
What is the SMILES notation for 2-diethoxyphosphoryl-2-phenylethanamine?
The canonical SMILES for 2-diethoxyphosphoryl-2-phenylethanamine is CCOP(=O)(OCC)C(CN)c1ccccc1.
What is the InChIKey of 2-diethoxyphosphoryl-2-phenylethanamine?
The InChIKey is BANCZHAXHZPQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3P/c1-3-15-17(14,16-4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-2-phenylethanamine?
2-diethoxyphosphoryl-2-phenylethanamine has a molecular weight of 257.27 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-phenylethanamine is sourced from PubChem (CID 14418072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).